KEGG   COMPOUND: C19589
Entry
C19589                      Compound                               

Name
Aflatoxin B1 dialdehyde
Formula
C17H14O8
Exact mass
346.0689
Mol weight
346.2883
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem: 124490261
KCF data

ATOM        25
            1   C8y C    22.3632  -20.4218
            2   C8y C    23.5034  -19.7260
            3   C1c C    20.9661  -19.9775
            4   C8y C    22.3574  -21.8252
            5   C8y C    24.7080  -20.4276
            6   O7x O    23.5095  -18.3287
            7   C4a C    20.1358  -21.1176
            8   C1c C    20.1415  -18.8316
            9   C8x C    23.5034  -22.5209
            10  C8y C    25.9241  -19.7377
            11  C8y C    24.7080  -21.8252
            12  C8y C    24.7255  -17.6388
            13  O4a O    18.7968  -20.6733
            14  C4a C    18.8027  -19.2642
            15  C8y C    25.9298  -18.3404
            16  C1x C    27.2455  -20.1763
            17  O2a O    25.9241  -22.5209
            18  O6a O    24.7138  -16.2355
            19  C5x C    27.2572  -17.9194
            20  C1x C    28.0699  -19.0479
            21  C1a C    27.1286  -21.8075
            22  O5x O    27.6957  -16.5863
            23  O4a O    17.6916  -18.4524
            24  O1a O    20.5848  -17.4822
            25  O1a O    21.1087  -22.5245
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14   10  15 2
            15   10  16 1
            16   11  17 1
            17   12  18 2
            18   15  19 1
            19   16  20 1
            20   17  21 1
            21   19  22 2
            22    9  11 2
            23   12  15 1
            24   19  20 1
            25   14  23 2
            26    8  24 1 #Down
            27    4  25 1

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